HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluorbenzoylchlorid
m-Fluorobenzoyl · AKOS BBS-00003915 · 3-Fluorobenzoyl chlo · fluorobenzoylchloride · 3-fluoro-benzoylchlorid · M-FLUOROBENZOYL CHLORIDE · 3-FLUOROBENZOYL CHLORIDE · 3-Fluorobenzoxyl chloride
Identifikatoren & physikalische Daten
| CAS No. | 1711-07-5 |
|---|---|
| Summenformel | C7H4ClFO |
| Durchschnittliche Molmasse | 158,56 g/mol |
| Monoisotopische Masse | 157,9934706 g/mol |
| SMILES | O=C(Cl)c1cccc(F)c1 |
| InChIKey | SYVNVEGIRVXRQH-UHFFFAOYSA-N |
| PubChem CID | 74376 |
| EC No. | 216-977-3 |
| DTXSID | DTXSID5061906 |
| Lokaler Name | 3-Fluorbenzoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 138 |
| Schmelzpunkt | -30 °C (lit.) |
| Siedepunkt | 189 °C (lit.) |
| Dichte | 1.304 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.529(lit.) |
| Flammpunkt | 180 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| BRN | 636610 |
| InChI | InChI=1S/C7H4ClFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H |
| InChIKey | SYVNVEGIRVXRQH-UHFFFAOYSA-N |
| SMILES | C(Cl)(=O)C1=CC=CC(F)=C1 |
| CAS Datenbank | 1711-07-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoyl chloride, 3-fluoro-(1711-07-5) |
| EPA chemische Informationen | Benzoyl chloride, 3-fluoro- (1711-07-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | 3-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29163900 |
| R-Sätze (R) | 34-37-36/37-14 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymatory |
| Sicherheitshinweise (S) | 26-36/37/39-45-28A-27 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Fluorobenzoyl chloride was used in synthesis of 4-[18F]fluoro-N-[2-[1-(2-methoxyphenyl)-1-piperazinyl]ethyl-N-2-pyridinyl-benzamide by radiosynthesis. It was also used as reagent in one-pot synthesis of N-(1,3-diphenyl-1H-pyrazol-5-yl)amides. It was used in three phase hollow fiber liquid-phase microextraction with in situ derivatization method coupled with HPLC-UV for the determination of metformin hydrochloride in biological fluids.